| SpectraBase Spectrum ID |
ldPDgaq0py |
| Name |
4-(trans-2-Iodocyclohextyl)-[1]benzofuran-2-one |
| Alternate Name(s) |
3-Hydroxy-4-(trans-2-Iodocyclohexyl)-[1]benzofuran-2-one
3-hydroxy-4-[(1S,2R)-2-iodocyclohexyl]-2H-chromen-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15IO3 |
| InChI |
InChI=1S/C15H15IO3/c16-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)19-15(18)14(13)17/h2,4,6,8-9,11,17H,1,3,5,7H2/t9-,11-/m1/s1 |
| InChIKey |
ZQBHOTXFZSJAFD-MWLCHTKSSA-N |
| Molecular Weight |
370.186 g/mol |
| SMILES |
OC1=C(c2c(OC1=O)cccc2)[C@]1([C@](I)(CCCC1)[H])[H] |
| SPLASH |
splash10-0006-0092000000-5fec6b886012e3481cc9 |
| Source of Spectrum |
KC-0-2841-34 |
| Wiley ID |
780269 |
![4-(trans-2-Iodocyclohextyl)-[1]benzofuran-2-one](/api/spectrum/ldPDgaq0py/structure.png?h=300&w=458 "4-(trans-2-Iodocyclohextyl)-[1]benzofuran-2-one")
